(2,2-dimethyl-3-sulfamoyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-3-sulfamoyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-3-sulfamoyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-3-sulfamoylpropyl) ester IUPAC Name: (2,2-dimethyl-3-sulfamoylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-3-sulfamoyl-propyl) ester Formula: C12H19NO5S2 MolecularWeight: 321.41296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CS(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CS(=O)(=O)N

InChI

InChI=1S/C12H19NO5S2/c1-10-4-6-11(7-5-10)20(16,17)18-8-12(2,3)9-19(13,14)15/h4-7H,8-9H2,1-3H3,(H2,13,14,15)